N-(3,3,5-trimethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide

C12H20N4O — CID 2914105

IUPACN-(3,3,5-trimethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCC1CC(NC(=O)c2ncn[nH]2)CC(C)(C)C1
InChIInChI=1S/C12H20N4O/c1-8-4-9(6-12(2,3)5-8)15-11(17)10-13-7-14-16-10/h7-9H,4-6H2,1-3H3,(H,15,17)(H,13,14,16)
InChIKeyFZDGDQZXMLTTGG-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.75
Rot. Bonds2

About N-(3,3,5-trimethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide

N-(3,3,5-trimethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 2914105) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-(3,3,5-trimethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,3,5-trimethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID2914105
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-(3,3,5-trimethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCC1CC(NC(=O)c2ncn[nH]2)CC(C)(C)C1
InChIInChI=1S/C12H20N4O/c1-8-4-9(6-12(2,3)5-8)15-11(17)10-13-7-14-16-10/h7-9H,4-6H2,1-3H3,(H,15,17)(H,13,14,16)
InChIKeyFZDGDQZXMLTTGG-UHFFFAOYSA-N
XLogP1.75
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide
CID 130556518
N-(1-methylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide
CID 67184534
4-bromo-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]benzamide
CID 673806
N-[(1R,5S)-3,3,5-trimethylcyclohexyl]acetamide
CID 67074228
2-amino-N-(3,3,5-trimethylcyclohexyl)benzamide
CID 2806551
methyl (2S,4S)-1-methyl-4-(1H-1,2,4-triazole-5-carbonylamino)pyrrolidine-2-carboxylate
CID 50972787
N-[(1R,5R)-3,3,5-trimethylcyclohexyl]pyridine-3-carboxamide
CID 39358749
3,4,5-trimethoxy-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]benzamide
CID 673811
N-[(3R)-oxolan-3-yl]-1H-1,2,4-triazole-5-carboxamide
CID 178044684
5-bromo-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]pyridine-3-carboxamide
CID 1122328
N-(1-azaspiro[5.5]undecan-4-yl)-1H-1,2,4-triazole-5-carboxamide
CID 55245594
N-(3-ethoxy-2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide
CID 103824832

Frequently Asked Questions

What is the IUPAC name of N-(3,3,5-trimethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-(3,3,5-trimethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide (CID 2914105) is N-(3,3,5-trimethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-(3,3,5-trimethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-(3,3,5-trimethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide is CC1CC(NC(=O)c2ncn[nH]2)CC(C)(C)C1.
What is the InChIKey of N-(3,3,5-trimethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is FZDGDQZXMLTTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8-4-9(6-12(2,3)5-8)15-11(17)10-13-7-14-16-10/h7-9H,4-6H2,1-3H3,(H,15,17)(H,13,14,16).
What are the key properties of N-(3,3,5-trimethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide?
N-(3,3,5-trimethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,5-trimethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 2914105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).